61336-27-4
Product Name:
2-(5-THIOXO-1H-1,2,4-TRIAZOL-4(5H)-YL)ACETIC ACID
Formula:
C4H5N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 159.17 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 159.01024758 g/mol |
| Monoisotopic Mass | 159.01024758 g/mol |
| Topological Polar Surface Area | 97 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 203 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |